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@INPROCEEDINGS{Lechermann:874369,
      author       = {Lechermann, Frank},
      title        = {{C}ooperation of {M}any-{B}ody {P}hysics and {D}efect
                      {C}hemistry in {T}ransition-{M}etal {O}xides},
      volume       = {50},
      address      = {Jülich},
      publisher    = {Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag},
      reportid     = {FZJ-2020-01392},
      series       = {Publication Series of the John von Neumann Institute for
                      Computing (NIC) NIC Series},
      pages        = {93 - 100},
      year         = {2020},
      comment      = {NIC Symposium 2020},
      booktitle     = {NIC Symposium 2020},
      abstract     = {The problem of defects in correlated materials is at the
                      heart of the fascinating phenomenology of many of these
                      compounds. A vast number of prominent features of strongly
                      correlated systems, such as e. g. high-temperature
                      superconductivity in cuprates and iron pnictides, or
                      heavy-fermion physics in Ce-based compounds is often
                      directly associated with a defect-crystal state. Already the
                      very concept of a doped Mott-insulator builds up on the
                      understanding of impurities implanted in an otherwise
                      perfect crystal lattice. However, a deeper understanding of
                      the realistic physics is then connected to a faithful
                      description of the defect chemistry underlying the material
                      under consideration. We here show that the combination of
                      density functional theory (DFT) with dynamical mean-field
                      theory (DMFT) provides a proper tool to elucidate this
                      realistic interplay between many-body physics and defect
                      chemistry. Focus is on transition-metal oxides which are
                      well known to harbour diverse manifestations of electronic
                      correlations. Two prominent concrete examples, the
                      paramagnetic metal-to-insulator transition in V$_{2}$O$_{3}$
                      driven by chromium doping, and the long-standing issue of
                      lithium-doped NiO will be addressed in some detail.},
      month         = {Feb},
      date          = {2020-02-27},
      organization  = {NIC Symposium 2020, Jülich (Germany),
                       27 Feb 2020 - 28 Feb 2020},
      cin          = {NIC},
      cid          = {I:(DE-Juel1)NIC-20090406},
      pnm          = {899 - ohne Topic (POF3-899)},
      pid          = {G:(DE-HGF)POF3-899},
      typ          = {PUB:(DE-HGF)8 / PUB:(DE-HGF)7},
      url          = {https://juser.fz-juelich.de/record/874369},
}